6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C18H26N6O — CID 942721

IUPAC6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C18H26N6O/c1-24(13-8-4-3-5-9-13)12-16-21-17(19)23-18(22-16)20-14-10-6-7-11-15(14)25-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyOEKWJJXJTHOKSF-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.97
Rot. Bonds6

About 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 942721) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID942721
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1
InChIInChI=1S/C18H26N6O/c1-24(13-8-4-3-5-9-13)12-16-21-17(19)23-18(22-16)20-14-10-6-7-11-15(14)25-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyOEKWJJXJTHOKSF-UHFFFAOYSA-N
XLogP2.97
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 942721) is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1.
What is the InChIKey of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OEKWJJXJTHOKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-24(13-8-4-3-5-9-13)12-16-21-17(19)23-18(22-16)20-14-10-6-7-11-15(14)25-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 342.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 942721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).